2-chloro-5-fluoro-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]quinazolin-4-amine;2,4-dichloro-5-fluoroquinazoline;(2S)-1-[5-fluoro-4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]quinazolin-2-yl]pyrrolidine-2-carboxamide;(2S)-pyrrolidine-2-carboxamide;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine

C70H71Cl3F3N19O11 — CID 167532113

About 2-chloro-5-fluoro-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]quinazolin-4-amine;2,4-dichloro-5-fluoroquinazoline;(2S)-1-[5-fluoro-4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]quinazolin-2-yl]pyrrolidine-2-carboxamide;(2S)-pyrrolidine-2-carboxamide;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine

2-chloro-5-fluoro-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]quinazolin-4-amine;2,4-dichloro-5-fluoroquinazoline;(2S)-1-[5-fluoro-4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]quinazolin-2-yl]pyrrolidine-2-carboxamide;(2S)-pyrrolidine-2-carboxamide;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine (PubChem CID 167532113) has the molecular formula C70H71Cl3F3N19O11 and a molecular weight of 1517.81 g/mol. Its IUPAC name is 2-chloro-5-fluoro-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]quinazolin-4-amine;2,4-dichloro-5-fluoroquinazoline;(2S)-1-[5-fluoro-4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]quinazolin-2-yl]pyrrolidine-2-carboxamide;(2S)-pyrrolidine-2-carboxamide;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine.

Molecular Properties

• Compound Name: 2-chloro-5-fluoro-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]quinazolin-4-amine;2,4-dichloro-5-fluoroquinazoline;(2S)-1-[5-fluoro-4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]quinazolin-2-yl]pyrrolidine-2-carboxamide;(2S)-pyrrolidine-2-carboxamide;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine
• PubChem CID: 167532113
• Molecular Formula: C70H71Cl3F3N19O11
• Molecular Weight: 1517.81 g/mol
• Exact Mass: 1515.46
• IUPAC Name: 2-chloro-5-fluoro-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]quinazolin-4-amine;2,4-dichloro-5-fluoroquinazoline;(2S)-1-[5-fluoro-4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]quinazolin-2-yl]pyrrolidine-2-carboxamide;(2S)-pyrrolidine-2-carboxamide;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine
• SMILES: COc1cc(-n2cnc(N)c2)cc(OC)c1OC.COc1cc(-n2cnc(Nc3nc(Cl)nc4cccc(F)c34)c2)cc(OC)c1OC.COc1cc(-n2cnc(Nc3nc(N4CCC[C@H]4C(N)=O)nc4cccc(F)c34)c2)cc(OC)c1OC.Fc1cccc2nc(Cl)nc(Cl)c12.NC(=O)[C@@H]1CCCN1
• InChI: InChI=1S/C25H26FN7O4.C20H17ClFN5O3.C12H15N3O3.C8H3Cl2FN2.C5H10N2O/c1-35-18-10-14(11-19(36-2)22(18)37-3)32-12-20(28-13-32)30-24-21-15(26)6-4-7-16(21)29-25(31-24)33-9-5-8-17(33)23(27)34;1-28-14-7-11(8-15(29-2)18(14)30-3)27-9-16(23-10-27)25-19-17-12(22)5-4-6-13(17)24-20(21)26-19;1-16-9-4-8(15-6-11(13)14-7-15)5-10(17-2)12(9)18-3;9-7-6-4(11)2-1-3-5(6)12-8(10)13-7;6-5(8)4-2-1-3-7-4/h4,6-7,10-13,17H,5,8-9H2,1-3H3,(H2,27,34)(H,29,30,31);4-10H,1-3H3,(H,24,25,26);4-7H,13H2,1-3H3;1-3H;4,7H,1-3H2,(H2,6,8)/t17-;;;;4-/m0...0/s1
• InChIKey: ACLRZHJFNAMLNJ-SVZWWXPESA-N
• XLogP: 11.34
• TPSA: 365.40 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 28
• Rotatable Bonds: 19
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1517.81
LogP ≤ 5	11.34
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]quinazolin-4-amine;2,4-dichloro-5-fluoroquinazoline;(2S)-1-[5-fluoro-4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]quinazolin-2-yl]pyrrolidine-2-carboxamide;(2S)-pyrrolidine-2-carboxamide;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine?

The IUPAC name of 2-chloro-5-fluoro-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]quinazolin-4-amine;2,4-dichloro-5-fluoroquinazoline;(2S)-1-[5-fluoro-4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]quinazolin-2-yl]pyrrolidine-2-carboxamide;(2S)-pyrrolidine-2-carboxamide;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine (CID 167532113) is 2-chloro-5-fluoro-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]quinazolin-4-amine;2,4-dichloro-5-fluoroquinazoline;(2S)-1-[5-fluoro-4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]quinazolin-2-yl]pyrrolidine-2-carboxamide;(2S)-pyrrolidine-2-carboxamide;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine.

What is the SMILES notation for 2-chloro-5-fluoro-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]quinazolin-4-amine;2,4-dichloro-5-fluoroquinazoline;(2S)-1-[5-fluoro-4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]quinazolin-2-yl]pyrrolidine-2-carboxamide;(2S)-pyrrolidine-2-carboxamide;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine?

The canonical SMILES for 2-chloro-5-fluoro-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]quinazolin-4-amine;2,4-dichloro-5-fluoroquinazoline;(2S)-1-[5-fluoro-4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]quinazolin-2-yl]pyrrolidine-2-carboxamide;(2S)-pyrrolidine-2-carboxamide;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine is COc1cc(-n2cnc(N)c2)cc(OC)c1OC.COc1cc(-n2cnc(Nc3nc(Cl)nc4cccc(F)c34)c2)cc(OC)c1OC.COc1cc(-n2cnc(Nc3nc(N4CCC[C@H]4C(N)=O)nc4cccc(F)c34)c2)cc(OC)c1OC.Fc1cccc2nc(Cl)nc(Cl)c12.NC(=O)[C@@H]1CCCN1.

What is the InChIKey of 2-chloro-5-fluoro-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]quinazolin-4-amine;2,4-dichloro-5-fluoroquinazoline;(2S)-1-[5-fluoro-4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]quinazolin-2-yl]pyrrolidine-2-carboxamide;(2S)-pyrrolidine-2-carboxamide;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine?

The InChIKey is ACLRZHJFNAMLNJ-SVZWWXPESA-N. The full InChI is InChI=1S/C25H26FN7O4.C20H17ClFN5O3.C12H15N3O3.C8H3Cl2FN2.C5H10N2O/c1-35-18-10-14(11-19(36-2)22(18)37-3)32-12-20(28-13-32)30-24-21-15(26)6-4-7-16(21)29-25(31-24)33-9-5-8-17(33)23(27)34;1-28-14-7-11(8-15(29-2)18(14)30-3)27-9-16(23-10-27)25-19-17-12(22)5-4-6-13(17)24-20(21)26-19;1-16-9-4-8(15-6-11(13)14-7-15)5-10(17-2)12(9)18-3;9-7-6-4(11)2-1-3-5(6)12-8(10)13-7;6-5(8)4-2-1-3-7-4/h4,6-7,10-13,17H,5,8-9H2,1-3H3,(H2,27,34)(H,29,30,31);4-10H,1-3H3,(H,24,25,26);4-7H,13H2,1-3H3;1-3H;4,7H,1-3H2,(H2,6,8)/t17-;;;;4-/m0...0/s1.

What are the key properties of 2-chloro-5-fluoro-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]quinazolin-4-amine;2,4-dichloro-5-fluoroquinazoline;(2S)-1-[5-fluoro-4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]quinazolin-2-yl]pyrrolidine-2-carboxamide;(2S)-pyrrolidine-2-carboxamide;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine?

2-chloro-5-fluoro-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]quinazolin-4-amine;2,4-dichloro-5-fluoroquinazoline;(2S)-1-[5-fluoro-4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]quinazolin-2-yl]pyrrolidine-2-carboxamide;(2S)-pyrrolidine-2-carboxamide;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine has a molecular weight of 1517.81 g/mol, XLogP of 11.34, 19 rotatable bonds, 6 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-5-fluoro-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]quinazolin-4-amine;2,4-dichloro-5-fluoroquinazoline;(2S)-1-[5-fluoro-4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]quinazolin-2-yl]pyrrolidine-2-carboxamide;(2S)-pyrrolidine-2-carboxamide;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine is sourced from PubChem (CID 167532113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).